3-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethylsulfonyl]propanamide

Systemtic Name: 3-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethylsulfonyl]propanamide Openeye Name: 3-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethylsulfonyl]propanamide CAS Name: 3-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethylsulfonyl]propanamide IUPAC Name: 3-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethylsulfonyl]propanamide Traditional Name: 3-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethylsulfonyl]propionamide Formula: C16H25FN3O5S2+ MolecularWeight: 422.515203

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CCS(=O)(=O)CCC(=O)N

Isomeric SMILES

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CCS(=O)(=O)CCC(=O)N

InChI

InChI=1S/C16H24FN3O5S2/c17-14-2-4-15(5-3-14)27(24,25)20-8-1-7-19(9-10-20)11-13-26(22,23)12-6-16(18)21/h2-5H,1,6-13H2,(H2,18,21)/p+1